4-azanyl-4-oxidanylidene-3-[(phenylmethylsulfanyl)carbothioylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-3-[(phenylmethylsulfanyl)carbothioylamino]butanoic acid Openeye Name: 4-amino-3-(benzylsulfanylcarbothioylamino)-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-3-[[(phenylmethylthio)-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-amino-3-(benzylsulfanylcarbothioylamino)-4-oxobutanoic acid Traditional Name: 4-amino-3-[(benzylthio)carbothioylamino]-4-keto-butyric acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)NC(CC(=O)O)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)NC(CC(=O)O)C(=O)N

InChI

InChI=1S/C12H14N2O3S2/c13-11(17)9(6-10(15)16)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,17)(H,14,18)(H,15,16)